Geometry & MOs

Info

ID:	33600
PubChem CID:	7887129
Reduced:	O2S2N3H13C15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	292.045253
ΔH_f, kcal/mol:	60.17
Dipole, Da:	7.1
IP(EA), eV:	-8.84(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC3=CC=CC=C3[N+](=O)[O-])C

DOS

IR

Vibrations